N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide

C17H26N2O2 — CID 60695015

IUPACN,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(21)14-18(3)13-9-12-16(20)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3
InChIKeyCHVUKCJDMCTRMA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds9

About N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide

N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide (PubChem CID 60695015) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
PubChem CID60695015
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)CCCC(=O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(21)14-18(3)13-9-12-16(20)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3
InChIKeyCHVUKCJDMCTRMA-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
4-[methyl(3-methylsulfanylpropyl)amino]-1-phenylbutan-1-one
CID 114237475
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
ethyl(phenacyl)carbamic acid
CID 70573901
4-[cyclopropyl(methyl)amino]-1-phenylbutan-1-one
CID 43792894
4-[ethyl(propyl)amino]-1-phenylbutan-1-one
CID 43792935
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
1,15-diphenylpentadecane-1,15-dione
CID 159981687
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
1-phenylheptadecan-1-one
CID 577626

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide (CID 60695015) is N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide is CCN(CC)C(=O)CN(C)CCCC(=O)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide?
The InChIKey is CHVUKCJDMCTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(5-2)17(21)14-18(3)13-9-12-16(20)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide?
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide is sourced from PubChem (CID 60695015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).